2-[bis[[6-(6-carboxypyridin-2-yl)pyridin-2-yl]methyl]amino]pentanedioic acid

Systemtic Name: 2-[bis[[6-(6-carboxypyridin-2-yl)pyridin-2-yl]methyl]amino]pentanedioic acid Openeye Name: 2-[bis[[6-(6-carboxy-2-pyridyl)-2-pyridyl]methyl]amino]pentanedioic acid CAS Name: 2-[bis[[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[bis[[6-(6-carboxypyridin-2-yl)pyridin-2-yl]methyl]amino]pentanedioic acid Traditional Name: 2-[bis[[6-(6-carboxy-2-pyridyl)-2-pyridyl]methyl]amino]glutaric acid Formula: C29H25N5O8 MolecularWeight: 571.5375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)CN(CC2=CC=CC(=N2)C3=NC(=CC=C3)C(=O)O)C(CCC(=O)O)C(=O)O)C4=NC(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC(=NC(=C1)CN(CC2=CC=CC(=N2)C3=NC(=CC=C3)C(=O)O)C(CCC(=O)O)C(=O)O)C4=NC(=CC=C4)C(=O)O

InChI

InChI=1S/C29H25N5O8/c35-26(36)14-13-25(29(41)42)34(15-17-5-1-7-19(30-17)21-9-3-11-23(32-21)27(37)38)16-18-6-2-8-20(31-18)22-10-4-12-24(33-22)28(39)40/h1-12,25H,13-16H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)